Hydrogen-bonding patterns in 4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium chloride

2007 ◽  
Vol 63 (11) ◽  
pp. o4312-o4313 ◽  
Author(s):  
Annamalai Subashini ◽  
Packianathan Thomas Muthiah ◽  
Gabriele Bocelli ◽  
Andrea Cantoni
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Tetrahedral Geometry ◽  
Compound C ◽  
Bonding Patterns

In the title compound, C10H12O3N3S+·Cl−, 4-amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide is protonated on the amine N atom which is connected to the benzene ring. The geometry around the S atom is considerably distorted from ideal tetrahedral geometry. The crystal packing is stabilized by intermolecular N—H...N, N—H...Cl, N—H...O and C—H...O hydrogen bonds.

scholarly journals 2-Benzenesulfonamidobenzoic acid

2009 ◽  
Vol 65 (6) ◽  
pp. o1246-o1247 ◽  
Author(s):  
Abdullah Mohamed Asiri ◽  
Mehmet Akkurt ◽  
Salman A. Khan ◽  
Muhammad Nadeem Arshad ◽  
Islam Ullah Khan ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Carboxyl Group ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Graph Set

In the title compound, C13H11NO4S, the dihedral angle between the planes of the benzene ring and the carboxyl group is 13.7 (1)°. The molecular structure contains intramolecular N—H...O and C—H...O hydrogen-bonding interactions, while the crystal packing is stabilized by C—H...O and O—H...O hydrogen bonds and C—H...π interactions. The O—H...O hydrogen bonds form a cyclic dimer, with graph-set motifR22(8), about a centre of symmetry.

3-(2-Chlorobenzyl)isocoumarin

2006 ◽  
Vol 62 (7) ◽  
pp. o2895-o2896 ◽  
Author(s):  
Obaid-Ur-Rehman Abid ◽  
Nasim Hasan Rama ◽  
Ghulam Qadeer ◽  
Gul Shahzada Khan ◽  
Xiao-Ming Lu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Compound C

In the title compound, C16H11ClO2, an unnaturally occurring isocoumarin, the benzene ring is nearly perpendicular to the planar isocoumarin ring system. The crystal packing is stabilized by intra- and intermolecular C—H...Cl and C—H...O hydrogen bonds.

scholarly journals N-(2,2-Dimethylpropanoyl)-N′-(2-methoxyphenyl)thiourea

2012 ◽  
Vol 68 (4) ◽  
pp. o1129-o1129 ◽  
Author(s):  
Maisara A. Kadir ◽  
Bohari M. Yamin ◽  
M. Sukeri M. Yusof
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

In the title compound, C13H18N2O2S, the carbonylthiourea fragment is nearly planar with an r.m.s. deviation of 0.0096 Å. The dihedral angle between carbonylthiourea group and the benzene ring is 19.16 (16)°. There are two intramolecular N—H...O hydrogen bonds, which lead to two pseudo-six-membered rings. Weak intramolecular C—H...S hydrogen bonding also occurs.

scholarly journals (E)-2-(4-Benzyloxy-2-hydroxybenzylidene)-N-methylhydrazinecarbothioamide

2014 ◽  
Vol 70 (2) ◽  
pp. o112-o113
Author(s):  
N. R. Sajitha ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C16H17N3O2S, adopts anEconformation with respect to the azomethine C=N bond. The hydrazinecarbothioamide fragment is close to planar, with a largest deviation from the least-squares plane of 0.079 (2) Å for the hydrazide N atom. This fragment forms a dihedral angle of 9.43 (9)° with the central benzene ring. The benzene rings are inclined to one another by 67.55 (12)°. The molecular conformation is stabilized by an intramolecular O—H...N hydrogen bond involving the azomethine N atom. In the crystal, molecules are linked through weak N—H...S and N—H...O hydrogen bonds into double ribbons along [010]. The crystal packing also features C—H...π interactions.

scholarly journals (2Z)-2-{[N-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methylphenyl)prop-2-enenitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o1084-o1084
Author(s):  
D. Kannan ◽  
M. Bakthadoss ◽  
R. Madhanraj ◽  
S. Murugavel
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C25H22N2O3S, the sulfonyl-bound benzene ring forms dihedral angles of 36.8 (2) and 81.4 (2)°, respectively, with the formylbenzene and methylbenzene rings. The molecular conformation is stabilized by an intramolecular C—H...O hydrogen bond, which generates anS(5) ring motif. The crystal packing is stabilized by C—H...O hydrogen bonds, which generateC(11) chains along thebaxis. The crystal packing is further stabilized by π–π interactions [centroid–centroid distance = 3.927 (2) Å].

scholarly journals 4-Methyl-2-oxo-2H-chromen-7-yl 4-methylbenzenesulfonate

2012 ◽  
Vol 68 (4) ◽  
pp. o1191-o1191
Author(s):  
Jian-Xin Yang ◽  
Hong-Yan Liu ◽  
Xiang-Hui Wang
Keyword(s):  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean ◽  
Coumarin Ring

In the title compound, C17H14O5S, the coumarin ring system is nearly planar, with a maximum deviation of 0.034 (2) Å from the mean plane. The dihedral angle between the benzene ring and the coumarin ring system is 56.11 (6)°. The crystal packing is stabilized by C—H...O hydrogen bonding, which forms a three-dimensional framework.

scholarly journals N-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (3) ◽  
pp. o301-o302 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Bárbara Regina Santos Feitosa ◽  
Christian Näther ◽  
Inke Jess
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

There are two independent molecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent molecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first molecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N—N—C—N fragment make dihedral angles of 12.92 (14)° in the first independent molecule and 7.60 (13)° in the second. In the crystal, molecules are linked by weak N—H...S hydrogen bonds into chains along thea-axis direction. The crystal packing ressembles a herringbone arrangement.

scholarly journals 2-(2,3-Dimethylanilino)benzohydrazide

2012 ◽  
Vol 68 (8) ◽  
pp. o2527-o2528 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Tze Shyang Chia ◽  
Tilal Elsaman ◽  
Mohamed I. Attia ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C ◽  
Benzene Rings ◽  
Common Plane ◽  
Ring Motif

In the title compound, C15H17N3O, the dihedral angle between the benzene rings is 58.05 (9)°. The non-H atoms of the hydrazide group lie in a common plane (r.m.s. deviation = 0.0006 Å) and are close to coplanar with their attached benzene ring [dihedral angle = 8.02 (9)°]. An intramolecular N—H...O hydrogen bond generates anS(6) ring motif in the molecule, and a short intramolecular contact (H...H = 1.88 Å) is also observed. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds into inversion dimers. The crystal packing also features C—H...π interactions.

scholarly journals Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene

2019 ◽  
Vol 75 (2) ◽  
pp. 237-241 ◽  
Author(s):  
Zeliha Atioğlu ◽  
Mehmet Akkurt ◽  
Namiq Q. Shikhaliyev ◽  
Gulnar T. Suleymanova ◽  
Khanim N. Bagirova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Surface Analysis ◽  
Title Compound ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Ring Form ◽  
Compound C

In the title compound, C14H8Cl2FN3O2, the 4-fluorophenyl ring and the nitro-substituted benzene ring form a dihedral angle of 63.29 (8)°. In the crystal, molecules are linked by C—H...O hydrogen bonds into chains running parallel to the c axis. The crystal packing is further stabilized by C—Cl...π, C—F...π and N—O...π interactions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H...O/O...H (15.5%), H...H (15.3%), Cl...H/H...Cl (13.8%), C...H/H...C (9.5%) and F...H/H...F (8.2%) interactions.

scholarly journals 1H-Benzotriazol-1-yl 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoate

2013 ◽  
Vol 69 (2) ◽  
pp. o262-o262
Author(s):  
Abdelkrim El-Ghayoury ◽  
Leokadiya Zorina ◽  
Mostafa Khouili
Keyword(s):  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Condensation Reaction ◽  
Compound C ◽  
Benzene Rings ◽  
Molecular Layers ◽  
Low Solubility

The title compound, C21H18N6O2, was obtained as a by-product of a reaction between (E)-4-(4-dimethylaminophenylazo)benzoic acid and 2-amino-4-(2-pyridyl)-6-(6-pyridyl)-1,3,5-triazine, which has a very low solubility, under peptidic coupling conditions, using THF as solvent. The condensation reaction occurred between 1-hydroxybenzotriazole and (E)-4-(4-dimethylaminophenylazo)benzoic acid. The dihedral angle between the benzene rings in the (E)-diphenyldiazene fragment is 10.92 (13)° and that between the benzotriazole mean plane and the central benzene ring is 80.57 (7)°. In the crystal, π–π stacking [centroid–centroid distances = 3.823 (2) and 3.863 (2) Å] of similar fragments generates molecular layers parallel to (0-12). The crystal packing also features weak C—H...N hydrogen bonds involving N atoms of the benzotriazole ring.

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